LAMMPS (3 Nov 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
# Si bcc

units           metal
boundary        p p p

atom_style      atomic
lattice         bcc 3.2488516
Lattice spacing in x,y,z = 3.2488516 3.2488516 3.2488516
region          box block 0 1 0 1 0 1
create_box              1 box
Created orthogonal box = (0 0 0) to (3.2488516 3.2488516 3.2488516)
  1 by 2 by 2 MPI processor grid
create_atoms    1 box
Created 2 atoms
  using lattice units in orthogonal box = (0 0 0) to (3.2488516 3.2488516 3.2488516)
  create_atoms CPU = 0.000 seconds

pair_style      meam/sw/spline
pair_coeff      * * Si.b.meam.sw.spline Si
Reading meam/sw/spline potential file Si.b.meam.sw.spline with DATE: 2012-10-26
mass            * 28.085

fix                     relax all box/relax aniso 0
thermo          1
minimize        0 0 10000 100000
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.4
  ghost atom cutoff = 6.4
  binsize = 3.2, bins = 2 2 2
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/sw/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/sw/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:966)
Per MPI rank memory allocation (min/avg/max) = 4.87 | 4.87 | 4.87 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
         0   0             -8.7404875      0             -8.7404875     -77295.383      34.291748    
         1   0             -8.7409767      0             -8.7409767     -75094.498      34.281461    
         2   0             -8.7414517      0             -8.7414517     -72888.657      34.271177    
         3   0             -8.7419124      0             -8.7419124     -70677.857      34.260895    
         4   0             -8.7423588      0             -8.7423588     -68462.093      34.250614    
         5   0             -8.7427909      0             -8.7427909     -66241.362      34.240336    
         6   0             -8.7432086      0             -8.7432086     -64015.66       34.23006     
         7   0             -8.743612       0             -8.743612      -61784.983      34.219786    
         8   0             -8.7440009      0             -8.7440009     -59549.327      34.209514    
         9   0             -8.7443755      0             -8.7443755     -57308.688      34.199244    
        10   0             -8.7447355      0             -8.7447355     -55063.062      34.188976    
        11   0             -8.7450812      0             -8.7450812     -52812.505      34.17871     
        12   0             -8.7454123      0             -8.7454123     -50557.316      34.168446    
        13   0             -8.7457288      0             -8.7457288     -48297.534      34.158184    
        14   0             -8.7460309      0             -8.7460309     -46033.158      34.147924    
        15   0             -8.7463183      0             -8.7463183     -43764.184      34.137666    
        16   0             -8.7465912      0             -8.7465912     -41490.611      34.127411    
        17   0             -8.7468494      0             -8.7468494     -39212.436      34.117157    
        18   0             -8.747093       0             -8.747093      -36929.656      34.106906    
        19   0             -8.747322       0             -8.747322      -34642.27       34.096656    
        20   0             -8.7475362      0             -8.7475362     -32350.275      34.086409    
        21   0             -8.7477357      0             -8.7477357     -30053.669      34.076163    
        22   0             -8.7479205      0             -8.7479205     -27752.449      34.06592     
        23   0             -8.7480906      0             -8.7480906     -25446.613      34.055679    
        24   0             -8.7482458      0             -8.7482458     -23136.159      34.045439    
        25   0             -8.7483863      0             -8.7483863     -20821.084      34.035202    
        26   0             -8.7485119      0             -8.7485119     -18501.386      34.024967    
        27   0             -8.7486226      0             -8.7486226     -16177.063      34.014734    
        28   0             -8.7487185      0             -8.7487185     -13848.113      34.004503    
        29   0             -8.7487994      0             -8.7487994     -11514.532      33.994274    
        30   0             -8.7488655      0             -8.7488655     -9176.3196      33.984047    
        31   0             -8.7489166      0             -8.7489166     -6833.4722      33.973822    
        32   0             -8.7489527      0             -8.7489527     -4485.9879      33.963599    
        33   0             -8.7489738      0             -8.7489738     -2133.8643      33.953379    
        34   0             -8.74898        0             -8.74898       -0.15827233     33.944126    
        35   0             -8.74898        0             -8.74898       -4.165364e-06   33.944126    
        36   0             -8.74898        0             -8.74898        7.5475462e-10  33.944126    
        37   0             -8.74898        0             -8.74898       -1.1072621e-09  33.944126    
        38   0             -8.74898        0             -8.74898       -3.440686e-10   33.944126    
        39   0             -8.74898        0             -8.74898        2.6000133e-10  33.944126    
        40   0             -8.74898        0             -8.74898       -3.0882658e-10  33.944126    
        41   0             -8.74898        0             -8.74898        2.6038343e-10  33.944126    
        42   0             -8.74898        0             -8.74898       -3.0841718e-10  33.944126    
        43   0             -8.74898        0             -8.74898        1.1685158e-09  33.944126    
        44   0             -8.74898        0             -8.74898       -3.4208984e-10  33.944126    
        45   0             -8.74898        0             -8.74898        6.0400204e-10  33.944126    
        46   0             -8.74898        0             -8.74898       -6.4554544e-10  33.944126    
        47   0             -8.74898        0             -8.74898        6.0422039e-10  33.944126    
        48   0             -8.74898        0             -8.74898        2.0044632e-10  33.944126    
        49   0             -8.74898        0             -8.74898       -1.7980834e-09  33.944126    
        50   0             -8.74898        0             -8.74898        3.7178672e-10  33.944126    
        51   0             -8.74898        0             -8.74898        8.1236339e-10  33.944126    
        52   0             -8.74898        0             -8.74898        6.0422039e-10  33.944126    
        53   0             -8.74898        0             -8.74898       -6.4531344e-10  33.944126    
        54   0             -8.74898        0             -8.74898        8.0702757e-10  33.944126    
        55   0             -8.74898        0             -8.74898       -1.658135e-09   33.944126    
        56   0             -8.74898        0             -8.74898        1.5190171e-10  33.944126    
        57   0             -8.74898        0             -8.74898        1.0703896e-09  33.944126    
        58   0             -8.74898        0             -8.74898        8.3110552e-10  33.944126    
        59   0             -8.74898        0             -8.74898       -6.3462258e-10  33.944126    
        60   0             -8.74898        0             -8.74898        8.5957234e-10  33.944126    
        61   0             -8.74898        0             -8.74898       -1.4233944e-09  33.944126    
        62   0             -8.74898        0             -8.74898        2.1650453e-09  33.944126    
        63   0             -8.74898        0             -8.74898       -1.8101607e-09  33.944126    
        64   0             -8.74898        0             -8.74898        2.1514259e-09  33.944126    
        65   0             -8.74898        0             -8.74898       -1.6209555e-09  33.944126    
        66   0             -8.74898        0             -8.74898        1.997367e-10   33.944126    
        67   0             -8.74898        0             -8.74898        1.995047e-10   33.944126    
        68   0             -8.74898        0             -8.74898        1.9998234e-10  33.944126    
        69   0             -8.74898        0             -8.74898        1.8647219e-10  33.944126    
        70   0             -8.74898        0             -8.74898       -1.0678984e-09  33.944126    
        71   0             -8.74898        0             -8.74898        1.9908166e-10  33.944126    
        72   0             -8.74898        0             -8.74898        1.9954564e-10  33.944126    
        73   0             -8.74898        0             -8.74898        2.0002328e-10  33.944126    
        74   0             -8.74898        0             -8.74898        1.8652678e-10  33.944126    
        75   0             -8.74898        0             -8.74898        2.6016176e-10  33.944126    
        76   0             -8.74898        0             -8.74898       -1.067257e-09   33.944126    
        77   0             -8.74898        0             -8.74898        1.997094e-10   33.944126    
        78   0             -8.74898        0             -8.74898        2.0020068e-10  33.944126    
        79   0             -8.74898        0             -8.74898        1.8669054e-10  33.944126    
        80   0             -8.74898        0             -8.74898        2.7431329e-10  33.944126    
        81   0             -8.74898        0             -8.74898       -1.0671206e-09  33.944126    
        82   0             -8.74898        0             -8.74898        1.9985952e-10  33.944126    
        83   0             -8.74898        0             -8.74898        2.0033715e-10  33.944126    
        84   0             -8.74898        0             -8.74898        2.7397212e-10  33.944126    
        85   0             -8.74898        0             -8.74898        2.7455893e-10  33.944126    
        86   0             -8.74898        0             -8.74898       -1.6990178e-09  33.944126    
        87   0             -8.74898        0             -8.74898        1.6201969e-09  33.944126    
        88   0             -8.74898        0             -8.74898        2.3299136e-10  33.944126    
        89   0             -8.74898        0             -8.74898       -1.8246534e-09  33.944126    
        90   0             -8.74898        0             -8.74898        5.5113651e-10  33.944126    
        91   0             -8.74898        0             -8.74898        6.0471166e-10  33.944126    
        92   0             -8.74898        0             -8.74898        5.4278145e-10  33.944126    
        93   0             -8.74898        0             -8.74898       -1.6989632e-09  33.944126    
        94   0             -8.74898        0             -8.74898        5.5139579e-10  33.944126    
        95   0             -8.74898        0             -8.74898        6.049573e-10   33.944126    
        96   0             -8.74898        0             -8.74898        5.4302709e-10  33.944126    
        97   0             -8.74898        0             -8.74898       -1.3953026e-09  33.944126    
        98   0             -8.74898        0             -8.74898        6.0424768e-10  33.944126    
        99   0             -8.74898        0             -8.74898        6.0539399e-10  33.944126    
       100   0             -8.74898        0             -8.74898        5.4346378e-10  33.944126    
       101   0             -8.74898        0             -8.74898       -1.8102698e-09  33.944126    
       102   0             -8.74898        0             -8.74898        5.7242355e-10  33.944126    
       103   0             -8.74898        0             -8.74898        6.0514836e-10  33.944126    
       104   0             -8.74898        0             -8.74898        5.4321814e-10  33.944126    
       105   0             -8.74898        0             -8.74898       -1.8104882e-09  33.944126    
       106   0             -8.74898        0             -8.74898        6.1089747e-10  33.944126    
       107   0             -8.74898        0             -8.74898        6.0490272e-10  33.944126    
       108   0             -8.74898        0             -8.74898       -9.4540466e-10  33.944126    
       109   0             -8.74898        0             -8.74898        3.9474001e-10  33.944126    
       110   0             -8.74898        0             -8.74898        6.0506648e-10  33.944126    
       111   0             -8.74898        0             -8.74898        5.4314991e-10  33.944126    
       112   0             -8.74898        0             -8.74898       -1.8105701e-09  33.944126    
       113   0             -8.74898        0             -8.74898        6.1081559e-10  33.944126    
       114   0             -8.74898        0             -8.74898        6.0484813e-10  33.944126    
       115   0             -8.74898        0             -8.74898       -9.4547289e-10  33.944126    
       116   0             -8.74898        0             -8.74898        3.9468542e-10  33.944126    
       117   0             -8.74898        0             -8.74898        6.0503918e-10  33.944126    
       118   0             -8.74898        0             -8.74898        5.5708309e-10  33.944126    
       119   0             -8.74898        0             -8.74898       -1.8106246e-09  33.944126    
       120   0             -8.74898        0             -8.74898        6.1077465e-10  33.944126    
       121   0             -8.74898        0             -8.74898        6.0479354e-10  33.944126    
       122   0             -8.74898        0             -8.74898        5.5681016e-10  33.944126    
       123   0             -8.74898        0             -8.74898       -1.8108976e-09  33.944126    
       124   0             -8.74898        0             -8.74898        6.1048808e-10  33.944126    
       125   0             -8.74898        0             -8.74898        6.0452061e-10  33.944126    
       126   0             -8.74898        0             -8.74898       -6.5900099e-10  33.944126    
       127   0             -8.74898        0             -8.74898        6.0471166e-10  33.944126    
       128   0             -8.74898        0             -8.74898        5.5675558e-10  33.944126    
       129   0             -8.74898        0             -8.74898       -1.8109795e-09  33.944126    
       130   0             -8.74898        0             -8.74898       -1.1005979e-10  33.944126    
       131   0             -8.74898        0             -8.74898       -4.0046826e-10  33.944126    
       132   0             -8.74898        0             -8.74898        5.72641e-10    33.944126    
       133   0             -8.74898        0             -8.74898        2.8764936e-10  33.944126    
       134   0             -8.74898        0             -8.74898        2.6035614e-10  33.944126    
       135   0             -8.74898        0             -8.74898        5.8229418e-10  33.944126    
       136   0             -8.74898        0             -8.74898       -3.212177e-10   33.944126    
       137   0             -8.74898        0             -8.74898        3.8041107e-10  33.944126    
       138   0             -8.74898        0             -8.74898       -3.3475513e-10  33.944126    
       139   0             -8.74898        0             -8.74898        3.808614e-10   33.944126    
       140   0             -8.74898        0             -8.74898        3.8163926e-10  33.944126    
       141   0             -8.74898        0             -8.74898       -9.3155335e-10  33.944126    
       142   0             -8.74898        0             -8.74898        3.9461719e-10  33.944126    
       143   0             -8.74898        0             -8.74898        3.8142092e-10  33.944126    
       144   0             -8.74898        0             -8.74898        6.1982409e-10  33.944126    
       145   0             -8.74898        0             -8.74898       -1.8109522e-09  33.944126    
       146   0             -8.74898        0             -8.74898        6.1043349e-10  33.944126    
       147   0             -8.74898        0             -8.74898        3.9490376e-10  33.944126    
       148   0             -8.74898        0             -8.74898        3.8170749e-10  33.944126    
       149   0             -8.74898        0             -8.74898       -9.454456e-10   33.944126    
       150   0             -8.74898        0             -8.74898        3.9471271e-10  33.944126    
       151   0             -8.74898        0             -8.74898        3.9549057e-10  33.944126    
       152   0             -8.74898        0             -8.74898        5.5672828e-10  33.944126    
       153   0             -8.74898        0             -8.74898       -1.8109931e-09  33.944126    
       154   0             -8.74898        0             -8.74898        6.1039255e-10  33.944126    
       155   0             -8.74898        0             -8.74898        3.9486282e-10  33.944126    
       156   0             -8.74898        0             -8.74898        3.8166655e-10  33.944126    
       157   0             -8.74898        0             -8.74898       -1.6999185e-09  33.944126    
       158   0             -8.74898        0             -8.74898       -9.652235e-11   33.944126    
       159   0             -8.74898        0             -8.74898        5.734325e-10   33.944126    
       160   0             -8.74898        0             -8.74898        2.6049261e-10  33.944126    
       161   0             -8.74898        0             -8.74898        6.1039255e-10  33.944126    
       162   0             -8.74898        0             -8.74898       -3.2108123e-10  33.944126    
       163   0             -8.74898        0             -8.74898        3.8053389e-10  33.944126    
       164   0             -8.74898        0             -8.74898        3.8131174e-10  33.944126    
       165   0             -8.74898        0             -8.74898       -3.3382716e-10  33.944126    
       166   0             -8.74898        0             -8.74898        3.8177573e-10  33.944126    
       167   0             -8.74898        0             -8.74898        5.5697392e-10  33.944126    
       168   0             -8.74898        0             -8.74898       -1.8106792e-09  33.944126    
       169   0             -8.74898        0             -8.74898       -1.0975956e-10  33.944126    
       170   0             -8.74898        0             -8.74898       -7.9821238e-10  33.944126    
       171   0             -8.74898        0             -8.74898        9.9578361e-10  33.944126    
       172   0             -8.74898        0             -8.74898        6.1001044e-10  33.944126    
       173   0             -8.74898        0             -8.74898        3.9448072e-10  33.944126    
       174   0             -8.74898        0             -8.74898        3.8128445e-10  33.944126    
       175   0             -8.74898        0             -8.74898       -5.1577738e-10  33.944126    
       176   0             -8.74898        0             -8.74898        3.9539504e-10  33.944126    
       177   0             -8.74898        0             -8.74898        6.1982409e-10  33.944126    
       178   0             -8.74898        0             -8.74898       -1.8109522e-09  33.944126    
       179   0             -8.74898        0             -8.74898       -1.1003249e-10  33.944126    
       180   0             -8.74898        0             -8.74898       -7.9847167e-10  33.944126    
       181   0             -8.74898        0             -8.74898        8.6198592e-10  33.944126    
       182   0             -8.74898        0             -8.74898       -1.0046007e-10  33.944126    
       183   0             -8.74898        0             -8.74898        8.471106e-10   33.944126    
       184   0             -8.74898        0             -8.74898        1.5024416e-10  33.944126    
       185   0             -8.74898        0             -8.74898       -1.2910362e-09  33.944126    
       186   0             -8.74898        0             -8.74898        1.190484e-09   33.944126    
       187   0             -8.74898        0             -8.74898       -1.2913365e-09  33.944126    
       188   0             -8.74898        0             -8.74898        1.1901701e-09  33.944126    
       189   0             -8.74898        0             -8.74898        3.8202137e-10  33.944126    
       190   0             -8.74898        0             -8.74898       -1.2908452e-09  33.944126    
       191   0             -8.74898        0             -8.74898        1.1556197e-09  33.944126    
       192   0             -8.74898        0             -8.74898        6.1996055e-10  33.944126    
       193   0             -8.74898        0             -8.74898       -1.810843e-09   33.944126    
       194   0             -8.74898        0             -8.74898        6.1054266e-10  33.944126    
       195   0             -8.74898        0             -8.74898        3.9499929e-10  33.944126    
       196   0             -8.74898        0             -8.74898        3.9577715e-10  33.944126    
       197   0             -8.74898        0             -8.74898       -9.4536372e-10  33.944126    
       198   0             -8.74898        0             -8.74898        3.9480824e-10  33.944126    
       199   0             -8.74898        0             -8.74898        3.9558609e-10  33.944126    
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      1914   0             -8.74898        0             -8.74898        5.8963158e-10  33.944126    
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      1917   0             -8.74898        0             -8.74898        3.3831818e-10  33.944126    
      1918   0             -8.74898        0             -8.74898        5.9036849e-10  33.944126    
      1919   0             -8.74898        0             -8.74898       -1.4244042e-09  33.944126    
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      1926   0             -8.74898        0             -8.74898        3.3815442e-10  33.944126    
      1927   0             -8.74898        0             -8.74898        5.9020474e-10  33.944126    
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      1929   0             -8.74898        0             -8.74898        3.3815442e-10  33.944126    
      1930   0             -8.74898        0             -8.74898        5.9023203e-10  33.944126    
      1931   0             -8.74898        0             -8.74898        5.7751339e-10  33.944126    
      1932   0             -8.74898        0             -8.74898       -1.4792909e-09  33.944126    
      1933   0             -8.74898        0             -8.74898        3.3815442e-10  33.944126    
      1934   0             -8.74898        0             -8.74898        5.9020474e-10  33.944126    
      1935   0             -8.74898        0             -8.74898        5.774588e-10   33.944126    
      1936   0             -8.74898        0             -8.74898       -1.8565728e-09  33.944126    
      1937   0             -8.74898        0             -8.74898        3.3045773e-10  33.944126    
      1938   0             -8.74898        0             -8.74898        3.38209e-10    33.944126    
      1939   0             -8.74898        0             -8.74898        5.9028661e-10  33.944126    
      1940   0             -8.74898        0             -8.74898       -1.0365513e-09  33.944126    
      1941   0             -8.74898        0             -8.74898        3.382363e-10   33.944126    
      1942   0             -8.74898        0             -8.74898        3.3900051e-10  33.944126    
      1943   0             -8.74898        0             -8.74898        5.770767e-10   33.944126    
      1944   0             -8.74898        0             -8.74898       -1.451752e-09   33.944126    
      1945   0             -8.74898        0             -8.74898        3.3067608e-10  33.944126    
      1946   0             -8.74898        0             -8.74898        3.3842735e-10  33.944126    
      1947   0             -8.74898        0             -8.74898        5.9050496e-10  33.944126    
      1948   0             -8.74898        0             -8.74898       -9.7344334e-10  33.944126    
      1949   0             -8.74898        0             -8.74898        3.3815442e-10  33.944126    
      1950   0             -8.74898        0             -8.74898        5.9020474e-10  33.944126    
      1951   0             -8.74898        0             -8.74898       -1.0366196e-09  33.944126    
      1952   0             -8.74898        0             -8.74898        3.3116735e-10  33.944126    
      1953   0             -8.74898        0             -8.74898        3.3891863e-10  33.944126    
      1954   0             -8.74898        0             -8.74898        5.7702211e-10  33.944126    
      1955   0             -8.74898        0             -8.74898       -1.4517793e-09  33.944126    
      1956   0             -8.74898        0             -8.74898        3.3064878e-10  33.944126    
      1957   0             -8.74898        0             -8.74898        3.3840006e-10  33.944126    
      1958   0             -8.74898        0             -8.74898        5.9050496e-10  33.944126    
      1959   0             -8.74898        0             -8.74898        5.4983807e-10  33.944126    
      1960   0             -8.74898        0             -8.74898       -1.8563135e-09  33.944126    
      1961   0             -8.74898        0             -8.74898        3.3073066e-10  33.944126    
      1962   0             -8.74898        0             -8.74898        3.3848194e-10  33.944126    
      1963   0             -8.74898        0             -8.74898        5.9055955e-10  33.944126    
      1964   0             -8.74898        0             -8.74898       -1.0362648e-09  33.944126    
      1965   0             -8.74898        0             -8.74898        3.3152217e-10  33.944126    
      1966   0             -8.74898        0             -8.74898        3.3927344e-10  33.944126    
      1967   0             -8.74898        0             -8.74898        5.7740422e-10  33.944126    
      1968   0             -8.74898        0             -8.74898       -1.4513972e-09  33.944126    
      1969   0             -8.74898        0             -8.74898        3.3103089e-10  33.944126    
      1970   0             -8.74898        0             -8.74898        3.3878216e-10  33.944126    
      1971   0             -8.74898        0             -8.74898        5.9085977e-10  33.944126    
      1972   0             -8.74898        0             -8.74898        5.3621875e-10  33.944126    
      1973   0             -8.74898        0             -8.74898       -1.8560406e-09  33.944126    
      1974   0             -8.74898        0             -8.74898        3.3100359e-10  33.944126    
      1975   0             -8.74898        0             -8.74898        3.3875487e-10  33.944126    
      1976   0             -8.74898        0             -8.74898        5.9085977e-10  33.944126    
      1977   0             -8.74898        0             -8.74898       -1.0639264e-09  33.944126    
      1978   0             -8.74898        0             -8.74898        3.3864569e-10  33.944126    
      1979   0             -8.74898        0             -8.74898        3.3940991e-10  33.944126    
      1980   0             -8.74898        0             -8.74898        5.7751339e-10  33.944126    
      1981   0             -8.74898        0             -8.74898       -1.4792363e-09  33.944126    
      1982   0             -8.74898        0             -8.74898        3.3119465e-10  33.944126    
      1983   0             -8.74898        0             -8.74898        3.3894592e-10  33.944126    
      1984   0             -8.74898        0             -8.74898        5.770767e-10   33.944126    
      1985   0             -8.74898        0             -8.74898        5.3635522e-10  33.944126    
      1986   0             -8.74898        0             -8.74898       -1.8559041e-09  33.944126    
      1987   0             -8.74898        0             -8.74898        6.7685702e-10  33.944126    
      1988   0             -8.74898        0             -8.74898        5.7696752e-10  33.944126    
      1989   0             -8.74898        0             -8.74898       -1.0639537e-09  33.944126    
      1990   0             -8.74898        0             -8.74898        3.3163134e-10  33.944126    
      1991   0             -8.74898        0             -8.74898        3.3938261e-10  33.944126    
      1992   0             -8.74898        0             -8.74898        5.774861e-10   33.944126    
      1993   0             -8.74898        0             -8.74898       -1.4513153e-09  33.944126    
      1994   0             -8.74898        0             -8.74898        6.7682972e-10  33.944126    
      1995   0             -8.74898        0             -8.74898        5.7694023e-10  33.944126    
      1996   0             -8.74898        0             -8.74898        5.5016559e-10  33.944126    
      1997   0             -8.74898        0             -8.74898       -1.8560679e-09  33.944126    
      1998   0             -8.74898        0             -8.74898        6.7666596e-10  33.944126    
      1999   0             -8.74898        0             -8.74898        5.907506e-10   33.944126    
      2000   0             -8.74898        0             -8.74898        5.5005641e-10  33.944126    
      2001   0             -8.74898        0             -8.74898       -1.8562043e-09  33.944126    
      2002   0             -8.74898        0             -8.74898        6.7655679e-10  33.944126    
      2003   0             -8.74898        0             -8.74898        5.9064143e-10  33.944126    
      2004   0             -8.74898        0             -8.74898       -1.0362511e-09  33.944126    
      2005   0             -8.74898        0             -8.74898        3.3154946e-10  33.944126    
      2006   0             -8.74898        0             -8.74898        3.3930073e-10  33.944126    
      2007   0             -8.74898        0             -8.74898        5.7740422e-10  33.944126    
      2008   0             -8.74898        0             -8.74898       -1.4513972e-09  33.944126    
      2009   0             -8.74898        0             -8.74898        6.7674784e-10  33.944126    
      2010   0             -8.74898        0             -8.74898        3.3951908e-10  33.944126    
      2011   0             -8.74898        0             -8.74898        5.7762256e-10  33.944126    
      2012   0             -8.74898        0             -8.74898       -1.4791135e-09  33.944126    
      2013   0             -8.74898        0             -8.74898        3.3133111e-10  33.944126    
      2014   0             -8.74898        0             -8.74898        3.3905509e-10  33.944126    
      2015   0             -8.74898        0             -8.74898        5.7715858e-10  33.944126    
      2016   0             -8.74898        0             -8.74898        5.3638251e-10  33.944126    
      2017   0             -8.74898        0             -8.74898       -1.8558632e-09  33.944126    
      2018   0             -8.74898        0             -8.74898        6.769116e-10   33.944126    
      2019   0             -8.74898        0             -8.74898        5.7702211e-10  33.944126    
      2020   0             -8.74898        0             -8.74898       -1.0638991e-09  33.944126    
      2021   0             -8.74898        0             -8.74898        3.3168592e-10  33.944126    
      2022   0             -8.74898        0             -8.74898        3.3940991e-10  33.944126    
      2023   0             -8.74898        0             -8.74898        5.7754068e-10  33.944126    
      2024   0             -8.74898        0             -8.74898       -1.4512607e-09  33.944126    
      2025   0             -8.74898        0             -8.74898        6.7688431e-10  33.944126    
      2026   0             -8.74898        0             -8.74898        5.7699482e-10  33.944126    
      2027   0             -8.74898        0             -8.74898        5.3621875e-10  33.944126    
      2028   0             -8.74898        0             -8.74898       -1.8560406e-09  33.944126    
      2029   0             -8.74898        0             -8.74898        6.7672055e-10  33.944126    
      2030   0             -8.74898        0             -8.74898        5.9080519e-10  33.944126    
      2031   0             -8.74898        0             -8.74898        5.50111e-10    33.944126    
      2032   0             -8.74898        0             -8.74898       -1.8561497e-09  33.944126    
      2033   0             -8.74898        0             -8.74898        6.7659773e-10  33.944126    
      2034   0             -8.74898        0             -8.74898        5.9069601e-10  33.944126    
      2035   0             -8.74898        0             -8.74898       -1.0361965e-09  33.944126    
      2036   0             -8.74898        0             -8.74898        3.3160404e-10  33.944126    
      2037   0             -8.74898        0             -8.74898        3.3935532e-10  33.944126    
      2038   0             -8.74898        0             -8.74898        5.774588e-10   33.944126    
      2039   0             -8.74898        0             -8.74898       -1.4513426e-09  33.944126    
      2040   0             -8.74898        0             -8.74898        6.7680243e-10  33.944126    
      2041   0             -8.74898        0             -8.74898        3.3957366e-10  33.944126    
      2042   0             -8.74898        0             -8.74898        5.7770444e-10  33.944126    
      2043   0             -8.74898        0             -8.74898       -1.4790998e-09  33.944126    
      2044   0             -8.74898        0             -8.74898        3.3133111e-10  33.944126    
      2045   0             -8.74898        0             -8.74898        3.3908239e-10  33.944126    
      2046   0             -8.74898        0             -8.74898        5.7718587e-10  33.944126    
      2047   0             -8.74898        0             -8.74898        5.3646439e-10  33.944126    
      2048   0             -8.74898        0             -8.74898       -1.8557949e-09  33.944126    
      2049   0             -8.74898        0             -8.74898        6.7696619e-10  33.944126    
      2050   0             -8.74898        0             -8.74898        5.770767e-10   33.944126    
      2051   0             -8.74898        0             -8.74898       -1.0638445e-09  33.944126    
      2052   0             -8.74898        0             -8.74898        3.317678e-10   33.944126    
      2053   0             -8.74898        0             -8.74898        3.3951908e-10  33.944126    
      2054   0             -8.74898        0             -8.74898        5.7762256e-10  33.944126    
      2055   0             -8.74898        0             -8.74898       -1.4791135e-09  33.944126    
      2056   0             -8.74898        0             -8.74898        6.7702078e-10  33.944126    
      2057   0             -8.74898        0             -8.74898        5.7713128e-10  33.944126    
      2058   0             -8.74898        0             -8.74898        5.5035664e-10  33.944126    
      2059   0             -8.74898        0             -8.74898       -1.8558768e-09  33.944126    
      2060   0             -8.74898        0             -8.74898        6.7688431e-10  33.944126    
      2061   0             -8.74898        0             -8.74898        5.7699482e-10  33.944126    
      2062   0             -8.74898        0             -8.74898        5.5019288e-10  33.944126    
      2063   0             -8.74898        0             -8.74898       -1.8560542e-09  33.944126    
      2064   0             -8.74898        0             -8.74898        6.7669326e-10  33.944126    
      2065   0             -8.74898        0             -8.74898        5.9077789e-10  33.944126    
      2066   0             -8.74898        0             -8.74898       -1.0640356e-09  33.944126    
      2067   0             -8.74898        0             -8.74898        3.3152217e-10  33.944126    
      2068   0             -8.74898        0             -8.74898        3.3927344e-10  33.944126    
      2069   0             -8.74898        0             -8.74898        5.7740422e-10  33.944126    
      2070   0             -8.74898        0             -8.74898       -1.063517e-09   33.944126    
      2071   0             -8.74898        0             -8.74898        3.3905509e-10  33.944126    
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      8656   0             -8.74898        0             -8.74898       -1.7789905e-10  33.944126    
      8657   0             -8.74898        0             -8.74898       -1.6411597e-10  33.944126    
      8658   0             -8.74898        0             -8.74898       -7.9663628e-10  33.944126    
      8659   0             -8.74898        0             -8.74898        2.5490278e-09  33.944126    
      8660   0             -8.74898        0             -8.74898       -1.1243017e-09  33.944126    
      8661   0             -8.74898        0             -8.74898       -2.270822e-11   33.944126    
      8662   0             -8.74898        0             -8.74898       -1.8054649e-10  33.944126    
      8663   0             -8.74898        0             -8.74898       -6.5114247e-12  33.944126    
      8664   0             -8.74898        0             -8.74898        4.9790198e-12  33.944126    
      8665   0             -8.74898        0             -8.74898        4.9790198e-12  33.944126    
Loop time of 0.729027 on 4 procs for 8665 steps with 2 atoms

98.1% CPU use with 4 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = quadratic factors are zero
  Energy initial, next-to-last, final = 
     -8.74048754954826  -8.74897996145753  -8.74897996145753
  Force two-norm initial, final = 2.865454 2.7720348e-15
  Force max component initial, final = 1.6543707 1.7824284e-15
  Final line search alpha, max atom move = 1 1.7824284e-15
  Iterations, force evaluations = 8665 17297

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.20421    | 0.20854    | 0.21363    |   0.9 | 28.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.19107    | 0.192      | 0.19353    |   0.2 | 26.34
Output  | 0.067404   | 0.071837   | 0.084073   |   2.6 |  9.85
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.2567     |            |       | 35.20

Nlocal:            0.5 ave           1 max           0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:          143.5 ave         144 max         143 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs:           14.5 ave          29 max           0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
FullNghs:           29 ave          58 max           0 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0

variable        cohesive_energy equal pe/atoms
variable        atmVol equal vol/atoms
variable        aLatt equal (2*vol/atoms)^0.333333333333

run                     0
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:966)
Per MPI rank memory allocation (min/avg/max) = 3.745 | 3.745 | 3.745 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
      8665   0             -8.74898        0             -8.74898        9.8078051e-11  33.944126    
Loop time of 2.501e-06 on 4 procs for 0 steps with 2 atoms

120.0% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.501e-06  |            |       |100.00

Nlocal:            0.5 ave           1 max           0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:          143.5 ave         144 max         143 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs:           14.5 ave          29 max           0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
FullNghs:           29 ave          58 max           0 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0

print           "===================================================="
====================================================
print           "Calculated cohesive energy: ${cohesive_energy} eV/atom"
Calculated cohesive energy: -4.37448998072876 eV/atom
print           "Reference cohesive energy:  -4.37 eV/atom"
Reference cohesive energy:  -4.37 eV/atom
print           "Atomic volume               ${atmVol} A^3"
Atomic volume               16.9720627605584 A^3
print           "Lattice constant            ${aLatt} A"
Lattice constant            3.23783620452874 A
print           "Reference lattice constant  3.238 A"
Reference lattice constant  3.238 A
print           "===================================================="
====================================================

#dump           1 all custom 1 bcc.dump id type x y z fx fy fz
#run            0


Total wall time: 0:00:00
